2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide

C9H15FN2O — CID 172623971

IUPAC2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide
SMILESC=C(CN1CC(C)(F)C1)C(=O)NC
InChIInChI=1S/C9H15FN2O/c1-7(8(13)11-3)4-12-5-9(2,10)6-12/h1,4-6H2,2-3H3,(H,11,13)
InChIKeyVANCDPUSYHCDKC-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.33
Rot. Bonds3

About 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide

2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide (PubChem CID 172623971) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide
PubChem CID172623971
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide
SMILESC=C(CN1CC(C)(F)C1)C(=O)NC
InChIInChI=1S/C9H15FN2O/c1-7(8(13)11-3)4-12-5-9(2,10)6-12/h1,4-6H2,2-3H3,(H,11,13)
InChIKeyVANCDPUSYHCDKC-UHFFFAOYSA-N
XLogP0.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-1-prop-2-enoylazetidine-3-carboxamide
CID 167529379
(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide
CID 171507573
N-methyl-2-[[3-(trifluoromethyl)azetidin-1-yl]methyl]prop-2-enamide
CID 172623392
2-[(3-fluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623407
2-[[3-fluoro-3-(hydroxymethyl)azetidin-1-yl]methyl]-N-methylprop-2-enamide
CID 172623870
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-methylprop-2-enamide
CID 172623955
N-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]prop-2-enamide
CID 172624010
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide
CID 176757841
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-propylprop-2-enamide
CID 177013560
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2,2-dimethylpropyl)prop-2-enamide;molecular hydrogen
CID 177014845
2-[(3,3-Difluoroazetidin-1-yl)methyl]prop-2-enamide;ethane
CID 177014891
2-[(3,3-difluoroazetidin-1-yl)methyl]-N-(2-methylpropyl)prop-2-enamide;ethane
CID 177014956

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide (CID 172623971) is 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide is C=C(CN1CC(C)(F)C1)C(=O)NC.
What is the InChIKey of 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide?
The InChIKey is VANCDPUSYHCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-7(8(13)11-3)4-12-5-9(2,10)6-12/h1,4-6H2,2-3H3,(H,11,13).
What are the key properties of 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide?
2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide has a molecular weight of 186.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 172623971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).